SCHEMBL29303182

SCHEMBL29303182

CC(C)c1cccc2c1cnn2C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 9/20 0.41
▸ KDM5A P29375 1/20 0.39
▸ SCD O00767 3/20 0.37
▸ PDE4D Q08499 2/20 0.36
▸ TNF P01375 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ LITAF Q99732 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ PDE1C Q14123 2/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21536090 0.84 PDE1B (0.38) KDM5ASCDPDE4DSCN9ASCN10A
SCHEMBL22527541 0.79 RXRA (0.40) KDM5APDE4DTNFPDE4BLITAF
SCHEMBL19048628 0.77 PDE9A (0.47) PDE9ASCDSCN9ASCN10APDE1C
SCHEMBL29303257 0.75 KDM5A (0.41) PDE9AKDM5ASCDSCN9ASCN10A
SCHEMBL4108821 0.74 PDE9A (0.43) PDE9ASCDSCN9ASCN10APDE1C
SCHEMBL25832861 0.73 MAPK1 (0.40) PDE9APDE4DTNFPDE4BLITAF
SCHEMBL25732024 0.73 CYP11B1 (0.42) PDE9ASCDPDE1CPDE1APDE1B
SCHEMBL15077331 0.73 CCR4 (0.39) —
SCHEMBL21783686 0.72 GRM2 (0.40) —
SCHEMBL19964477 0.71 GABRA1 (0.36) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 PDE9A 622/4885KDM5A 1716/4885SCD 3619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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